Physicochemical significance of ChemDraw and Dragon computed parameters: correlation studies in the sets with aliphatic and aromatic substituents
Anil K. Saxena, Ankit Kumar Gupta, Karanpreet Singh Bhatia
Topics & Concepts
CorrelationMathematical chemistryAromaticityMathematicsCombinatoricsChemistryComputational chemistryStereochemistryOrganic chemistryGeometryMoleculeGraph theory and applicationsComputational Drug Discovery MethodsFree Radicals and Antioxidants